3beta,17,21-Trihydroxy-5beta-Pregnan-20-One
[CAS# 601-03-6]

Identification

• Name: 3beta,17,21-Trihydroxy-5beta-Pregnan-20-One
• Synonyms: 1-[(3S,5R,8R,9S,10S,13S,14S,17R)-3,17-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Hydroxy-Ethanone; 3Beta,17,21-Trihydroxy-5Beta-Pregnan-20-One
• Molecular Formula: C₂₁H₃₄O₄
• Molecular Weight: 350.50
• CAS Registry Number: 601-03-6
• EINECS: 210-000-4
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](CC1)[C@]3(C)[C@H](CC2)C[C@H](CC3)O)CC[C@@]4(C(CO)=O)O
• InChI: 1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14+,15-,16+,17+,19+,20+,21+/m1/s1
• InChIKey: UPTAPIKFKZGAGM-FOVYBZIDSA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Boiling point: 505.146°C at 760 mmHg (Cal.)
• Flash point: 273.394°C (Cal.)